AG004A2B

886362-62-5 | 1-Boc-4-(3-Bromophenyl)piperidine

AG004A2B

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CAS Number	886362-62-5
Catalog Number	AG004A2B(AGN-PC-05W4B6)
Chemical Name	1-Boc-4-(3-Bromophenyl)piperidine
IUPAC Name	tert-butyl 4-(3-bromophenyl)piperidine-1-carboxylate
InChI	InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-9-7-12(8-10-18)13-5-4-6-14(17)11-13/h4-6,11-12H,7-10H2,1-3H3
InChI Key	SDAPURUFUOOCTE-UHFFFAOYSA-N
MDL Number	MFCD07784003
Molecular Formula	C16H22BrNO2
Molecular Weight	340.2554
SMILES	BrC1=CC(C2CCN(C(OC(C)(C)C)=O)CC2)=CC=C1
Synonyms	886362-62-5, 4-(3-Bromo-phenyl)-1-N-Boc-piperidine, 1-Boc-4-(3-Bromophenyl)piperidine, tert-butyl 4-(3-bromophenyl)piperidine-1-carboxylate, 4-(3-bromo-phenyl)-piperidine-1-carboxylic acid tert-butyl ester, 1-PIPERIDINECARBOXYLIC ACID, 4-(3-BROMOPHENYL)-, 1,1-DIMETHYLETHYL ESTER, SCHEMBL1427529, CTK5G0942, DTXSID00654188, SDAPURUFUOOCTE-UHFFFAOYSA-N, KS-000011IZ, ZINC2527473, 4-(3-bromo-phenyl)-piperidine-1-, 4445AC, ANW-72236, KM2691, MFCD04115309, AKOS015897806, 1-N-Boc-4-(3-Bromophenyl)piperidine, AB19883, AC-9226, ACN-054382, AN-7213, CB-3040, RTC-070501, 4-(3-bromophenyl)-1-N-Boc piperidine, AJ-38052, AS-37140, BP-13128, SC-91951, DB-024544, TC-070501, FT-0656735, I12-0281, 4-(3-bromophenyl)-1-piperidinecarboxylic acid tert-butyl ester, 1-Piperidinecarboxylicacid, 4-(3-bromophenyl)-, 1,1-dimethylethyl ester, C16H22BrNO2, A13467,

Complexity	332
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	339.083g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	340.261g/mol
Monoisotopic Mass	339.083g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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